2-(4-chlorophenyl)-1-[(4-chlorophenyl)methyl]benzimidazole

C20H14Cl2N2 — CID 5194054

IUPAC2-(4-chlorophenyl)-1-[(4-chlorophenyl)methyl]benzimidazole
SMILESClc1ccc(Cn2c(-c3ccc(Cl)cc3)nc3ccccc32)cc1
InChIInChI=1S/C20H14Cl2N2/c21-16-9-5-14(6-10-16)13-24-19-4-2-1-3-18(19)23-20(24)15-7-11-17(22)12-8-15/h1-12H,13H2
InChIKeyJXZJOJLNOREGJE-UHFFFAOYSA-N
MW353.25 g/mol
LogP6.06
Rot. Bonds3

About 2-(4-chlorophenyl)-1-[(4-chlorophenyl)methyl]benzimidazole

2-(4-chlorophenyl)-1-[(4-chlorophenyl)methyl]benzimidazole (PubChem CID 5194054) has the molecular formula C20H14Cl2N2 and a molecular weight of 353.25 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-[(4-chlorophenyl)methyl]benzimidazole.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-[(4-chlorophenyl)methyl]benzimidazole
PubChem CID5194054
Molecular FormulaC20H14Cl2N2
Molecular Weight353.25 g/mol
Exact Mass352.05
IUPAC Name2-(4-chlorophenyl)-1-[(4-chlorophenyl)methyl]benzimidazole
SMILESClc1ccc(Cn2c(-c3ccc(Cl)cc3)nc3ccccc32)cc1
InChIInChI=1S/C20H14Cl2N2/c21-16-9-5-14(6-10-16)13-24-19-4-2-1-3-18(19)23-20(24)15-7-11-17(22)12-8-15/h1-12H,13H2
InChIKeyJXZJOJLNOREGJE-UHFFFAOYSA-N
XLogP6.06
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.25
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 65997
Clemizole Hydrochloride
CID 5309446
Clemizole
CID 2782
Chlormidazole
CID 71821
2-amino-1-((4-fluorophenyl)methyl)-1H-benzimidazole
CID 3019305
Chlorfenazole
CID 77123
2-(4-Chlorophenyl)imidazo(1,2-a)pyridine
CID 745769
1-(4-Chlorobenzyl)-1H-benzimidazole
CID 853038
Clonitazene
CID 62528
6-(2-Chlorophenyl)benzo[4,5]imidazo[1,2-c]-quinazoline
CID 630151
(1-((4-chlorophenyl)methyl)-1H-1,3-benzodiazol-2-yl)methanol
CID 743896
2-((4-Chlorophenyl)methyl)-1H-benzimidazole
CID 225500

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-[(4-chlorophenyl)methyl]benzimidazole?
The IUPAC name of 2-(4-chlorophenyl)-1-[(4-chlorophenyl)methyl]benzimidazole (CID 5194054) is 2-(4-chlorophenyl)-1-[(4-chlorophenyl)methyl]benzimidazole.
What is the SMILES notation for 2-(4-chlorophenyl)-1-[(4-chlorophenyl)methyl]benzimidazole?
The canonical SMILES for 2-(4-chlorophenyl)-1-[(4-chlorophenyl)methyl]benzimidazole is Clc1ccc(Cn2c(-c3ccc(Cl)cc3)nc3ccccc32)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-1-[(4-chlorophenyl)methyl]benzimidazole?
The InChIKey is JXZJOJLNOREGJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl2N2/c21-16-9-5-14(6-10-16)13-24-19-4-2-1-3-18(19)23-20(24)15-7-11-17(22)12-8-15/h1-12H,13H2.
What are the key properties of 2-(4-chlorophenyl)-1-[(4-chlorophenyl)methyl]benzimidazole?
2-(4-chlorophenyl)-1-[(4-chlorophenyl)methyl]benzimidazole has a molecular weight of 353.25 g/mol, XLogP of 6.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-[(4-chlorophenyl)methyl]benzimidazole is sourced from PubChem (CID 5194054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).